2,5-diamino-1H-pyrimidin-6-one;dihydrochloride

C4H8Cl2N4O — CID 133054025

IUPAC2,5-diamino-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.Nc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C4H6N4O.2ClH/c5-2-1-7-4(6)8-3(2)9;;/h1H,5H2,(H3,6,7,8,9);2*1H
InChIKeyQDRTYFMBPDNRMK-UHFFFAOYSA-N
MW199.04 g/mol
LogP-0.22
Rot. Bonds

About 2,5-diamino-1H-pyrimidin-6-one;dihydrochloride

2,5-diamino-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 133054025) has the molecular formula C4H8Cl2N4O and a molecular weight of 199.04 g/mol. Its IUPAC name is 2,5-diamino-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name2,5-diamino-1H-pyrimidin-6-one;dihydrochloride
PubChem CID133054025
Molecular FormulaC4H8Cl2N4O
Molecular Weight199.04 g/mol
Exact Mass198.01
IUPAC Name2,5-diamino-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.Nc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C4H6N4O.2ClH/c5-2-1-7-4(6)8-3(2)9;;/h1H,5H2,(H3,6,7,8,9);2*1H
InChIKeyQDRTYFMBPDNRMK-UHFFFAOYSA-N
XLogP-0.22
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.04
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 2,5-diamino-1H-pyrimidin-6-one;dihydrochloride (CID 133054025) is 2,5-diamino-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 2,5-diamino-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 2,5-diamino-1H-pyrimidin-6-one;dihydrochloride is Cl.Cl.Nc1ncc(N)c(=O)[nH]1.
What is the InChIKey of 2,5-diamino-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is QDRTYFMBPDNRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.2ClH/c5-2-1-7-4(6)8-3(2)9;;/h1H,5H2,(H3,6,7,8,9);2*1H.
What are the key properties of 2,5-diamino-1H-pyrimidin-6-one;dihydrochloride?
2,5-diamino-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 199.04 g/mol, XLogP of -0.22, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 133054025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).